methyl 3-[(4-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(4-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
methyl 3-[(4-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L077-0355 |
| Compound Name: | methyl 3-[(4-{5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(C2CCN(CC2)C(Nc2cccc(c2)C(=O)OC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1692 |
| logD: | 4.1691 |
| logSw: | -4.1129 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.205 |
| InChI Key: | KHBFXQUCMSOPAN-UHFFFAOYSA-N |